methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate

C26H21N5O4 — CID 54187380

IUPACmethyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cc3nccc4[nH]c(C)nc34)cc1)cn2C(N)=O
InChIInChI=1S/C26H21N5O4/c1-14-29-19-10-11-28-20(23(19)30-14)12-15-6-8-16(9-7-15)24(32)18-13-31(26(27)34)21-5-3-4-17(22(18)21)25(33)35-2/h3-11,13H,12H2,1-2H3,(H2,27,34)(H,29,30)
InChIKeyPGANGNSQFNXXNM-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.76
Rot. Bonds5

About methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate

methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate (PubChem CID 54187380) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate
PubChem CID54187380
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC Namemethyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c(C(=O)c1ccc(Cc3nccc4[nH]c(C)nc34)cc1)cn2C(N)=O
InChIInChI=1S/C26H21N5O4/c1-14-29-19-10-11-28-20(23(19)30-14)12-15-6-8-16(9-7-15)24(32)18-13-31(26(27)34)21-5-3-4-17(22(18)21)25(33)35-2/h3-11,13H,12H2,1-2H3,(H2,27,34)(H,29,30)
InChIKeyPGANGNSQFNXXNM-UHFFFAOYSA-N
XLogP3.76
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate with MolForge

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Related Compounds

2-[6-(4-fluorophenyl)-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indol-1-yl]-N,N-dimethylacetamide
CID 18993171
methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
CID 18993191
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
[(2S)-4-methyl-2-[methyl-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonylamino]pentyl] 2-bromobenzoate
CID 22861034
N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
CID 18649576
2-ethoxyethyl (2S)-4-methyl-2-[[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonylamino]pentanoate
CID 18650986
tert-butyl (2S)-2-[methyl-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonylamino]propanoate
CID 57004123
[(2S)-4-methyl-2-[methyl-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonylamino]pentyl] 3-chlorobenzoate
CID 22861042
methyl 3-[4-[[2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]-1-(pyrrolidine-1-carbonyl)indole-4-carboxylate
CID 70109880
[6-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]methanone
CID 70112226
methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate
CID 70110887
N-[1-(2-methoxy-3-pyridinyl)-3-methylbutyl]-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
CID 22408337

Frequently Asked Questions

What is the IUPAC name of methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate?
The IUPAC name of methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate (CID 54187380) is methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate.
What is the SMILES notation for methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate?
The canonical SMILES for methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate is COC(=O)c1cccc2c1c(C(=O)c1ccc(Cc3nccc4[nH]c(C)nc34)cc1)cn2C(N)=O.
What is the InChIKey of methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate?
The InChIKey is PGANGNSQFNXXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4/c1-14-29-19-10-11-28-20(23(19)30-14)12-15-6-8-16(9-7-15)24(32)18-13-31(26(27)34)21-5-3-4-17(22(18)21)25(33)35-2/h3-11,13H,12H2,1-2H3,(H2,27,34)(H,29,30).
What are the key properties of methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate?
methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate has a molecular weight of 467.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate is sourced from PubChem (CID 54187380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).